N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

C25H36N6O2 — CID 157029687

IUPACN-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESC[C@H]1C[C@@H](Oc2ccnc(-c3nc4c(c(N(C)CC(=O)NC(C)(C)C)n3)CCC4)c2)CN1C
InChIInChI=1S/C25H36N6O2/c1-16-12-18(14-30(16)5)33-17-10-11-26-21(13-17)23-27-20-9-7-8-19(20)24(28-23)31(6)15-22(32)29-25(2,3)4/h10-11,13,16,18H,7-9,12,14-15H2,1-6H3,(H,29,32)/t16-,18+/m0/s1
InChIKeyAEGZZGNSANMQLI-FUHWJXTLSA-N
MW452.60 g/mol
LogP2.85
Rot. Bonds6

About N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 157029687) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
PubChem CID157029687
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC NameN-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESC[C@H]1C[C@@H](Oc2ccnc(-c3nc4c(c(N(C)CC(=O)NC(C)(C)C)n3)CCC4)c2)CN1C
InChIInChI=1S/C25H36N6O2/c1-16-12-18(14-30(16)5)33-17-10-11-26-21(13-17)23-27-20-9-7-8-19(20)24(28-23)31(6)15-22(32)29-25(2,3)4/h10-11,13,16,18H,7-9,12,14-15H2,1-6H3,(H,29,32)/t16-,18+/m0/s1
InChIKeyAEGZZGNSANMQLI-FUHWJXTLSA-N
XLogP2.85
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (CID 157029687) is N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is C[C@H]1C[C@@H](Oc2ccnc(-c3nc4c(c(N(C)CC(=O)NC(C)(C)C)n3)CCC4)c2)CN1C.
What is the InChIKey of N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is AEGZZGNSANMQLI-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-16-12-18(14-30(16)5)33-17-10-11-26-21(13-17)23-27-20-9-7-8-19(20)24(28-23)31(6)15-22(32)29-25(2,3)4/h10-11,13,16,18H,7-9,12,14-15H2,1-6H3,(H,29,32)/t16-,18+/m0/s1.
What are the key properties of N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 452.60 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 157029687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).